UCSF

ZINC26569832

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 25 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 9.06 -18.68 0 8 0 99 371.411 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5132301; US5364848 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )